Module multi_method 

Multi-method DOS: use orbital energies from EHT, PM3, xTB, or HF-3c.

Provides a unified API for computing DOS from any supported electronic structure method, choosing the appropriate level of theory via DosMethod.

Structs

MultiMethodDosResult

Multi-method DOS result extending base DosResult.

Enums

DosMethod

Method for obtaining orbital energies for DOS computation.

Functions

compute_dos_multimethod

Compute DOS using a specified electronic structure method.